N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide

C15H19NO3 — CID 98017113

IUPACN-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1/C=C/CCC(C)=O
InChIInChI=1S/C15H19NO3/c1-11(17)6-4-5-7-13-10-14(16-12(2)18)8-9-15(13)19-3/h5,7-10H,4,6H2,1-3H3,(H,16,18)/b7-5+
InChIKeyLKJFVBTUAXYTRG-FNORWQNLSA-N
MW261.32 g/mol
LogP3.04
Rot. Bonds6

About N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide

N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide (PubChem CID 98017113) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide
PubChem CID98017113
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1/C=C/CCC(C)=O
InChIInChI=1S/C15H19NO3/c1-11(17)6-4-5-7-13-10-14(16-12(2)18)8-9-15(13)19-3/h5,7-10H,4,6H2,1-3H3,(H,16,18)/b7-5+
InChIKeyLKJFVBTUAXYTRG-FNORWQNLSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(5-acetamido-2-methoxyphenyl)prop-2-enoate
CID 7452463
N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
CID 170488942
1-[3-(4-aminobut-1-enyl)-4-methoxyphenyl]ethanone
CID 170487445
N-[4-(5-chloro-2-methoxyphenyl)but-3-enyl]acetamide
CID 170488539
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
S-[4-(5-acetyl-2-methoxyphenyl)but-3-enyl] ethanethioate
CID 170480650
3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
CID 10643939
N-[4-methoxy-3-[2-methoxy-5-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
CID 101275812
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
CID 58902871
methyl 3-(4-bromobut-1-enyl)-4-methoxybenzoate
CID 170498290
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide (CID 98017113) is N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide is COc1ccc(NC(C)=O)cc1/C=C/CCC(C)=O.
What is the InChIKey of N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide?
The InChIKey is LKJFVBTUAXYTRG-FNORWQNLSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)6-4-5-7-13-10-14(16-12(2)18)8-9-15(13)19-3/h5,7-10H,4,6H2,1-3H3,(H,16,18)/b7-5+.
What are the key properties of N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide?
N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide is sourced from PubChem (CID 98017113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).